HRID114701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

结构：O=C(O)c1c[nH]c2c(-c3c(OCC4CC4)ccc4c3OCO4)ncnc12

HCID66866015

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4c(OCC5CC5)ccc5c4OCO5)ncnc23)CC1

HCID66866077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06f438250ad24761a4ec831100df7d4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56]([CH3:57])([CH3:58])([CH3:59])[O:60][C:61](=[O:62])[N:63]1[CH2:64][CH2:65][CH:66]([NH2:69])[CH2:67][CH2:68]1.[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:1]1([CH2:4][O:5][c:6]2[c:7](-[c:15]3[c:16]4[c:17]([n:18][cH:19][n:20]3)[c:21]([C:24](=[O:25])[OH:26])[cH:22][nH:23]4)[c:8]3[c:9]([cH:13][cH:14]2)[O:10][CH2:11][O:12]3)[CH2:2][CH2:3]1.[Cl:70][CH2:71][Cl:72].[ClH:27].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH:1]1([CH2:4][O:5][c:6]2[c:7](-[c:15]3[c:16]4[c:17]([n:18][cH:19][n:20]3)[c:21]([C:24](=[O:25])[NH:69][CH:66]3[CH2:65][CH2:64][N:63]([C:61]([O:60][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:62])[CH2:68][CH2:67]3)[cH:22][nH:23]4)[c:8]3[c:9]([cH:13][cH:14]2)[O:10][CH2:11][O:12]3)[CH2:2][CH2:3]1